Dear Kajal The problem might as well be something else, but take a look: > /* input file for isolated atom */ ... > &system > ibrav = 4, nat= 1, ntyp= 1,celldm(1) = 5.0338, celldm(3) = 1.85829,
not that isolated perhaps.. emine kucukbenli, phd student, sissa, italy ---------------------------------------------------------------- SISSA Webmail https://webmail.sissa.it/ Powered by Horde http://www.horde.org/
